0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 5.7531 7.12263 7.27018 4.88215 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 6.94408 6.24978 9.77703 11.0223 5.00267 9.94625 6.80407 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 5.7531 7.12263 7.27018 6.36434 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 11.2508 9.66439 12.013 11.0223 5.00267 9.94625 8.44094 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 5.7531 7.12263 7.27018 8.79272 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.82379 7.03958 5.65816 12.4076 7.3915 8.53529 11.0223 5.00267 9.94625 6.32152 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 8.79272 7.12263 7.27018 5.7531 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 6.32152 5.00267 9.94625 11.0223 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 8.79272 7.12263 7.27018 4.88215 numMergedOcc 0
9 mol 8 unq 9 iso 0 dist 7.3915 8.53529 5.65816 9.22548 6.24978 9.77703 6.32152 5.00267 9.94625 6.80407 numMergedOcc 0
10 mol 8 unq 10 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 8.79272 7.12263 7.27018 6.36434 numMergedOcc 0
11 mol 8 unq 11 iso 0 dist 7.3915 8.53529 5.65816 7.96511 9.66439 12.013 6.32152 5.00267 9.94625 8.44094 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 10.4817 5.38458 9.17615 7.51034 numMergedOcc 0
13 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 10.4817 5.38458 10.7794 7.51034 numMergedOcc 0
14 mol 9 unq 2 iso 0 dist 7.9944 8.48677 9.06304 5.06358 7.032 11.3467 10.4817 5.38458 14.2535 7.51034 numMergedOcc 0
15 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 7.51034 5.38458 9.17615 10.4817 numMergedOcc 0
16 mol 9 unq 4 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 7.51034 5.38458 10.7794 10.4817 numMergedOcc 0
17 mol 9 unq 5 iso 0 dist 7.032 7.83133 9.193 5.06358 7.9944 10.2602 7.51034 5.38458 11.6139 10.4817 numMergedOcc 0
18 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 10.3648 7.69625 17.0794 8.19436 numMergedOcc 0
19 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 10.3648 7.69625 17.0794 6.49317 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 6.58998 9.38831 11.5841 11.0493 numMergedOcc 0
21 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 9.48345 9.40479 13.9848 13.1456 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 14.4162 9.58012 16.8872 10.0655 numMergedOcc 0
23 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 9.48345 9.40479 11.5841 13.1456 numMergedOcc 0
24 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 14.4162 9.58012 18.2994 10.0655 numMergedOcc 0
25 mol 24 unq 5 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 13.1456 9.40479 13.9848 9.48345 numMergedOcc 0
26 mol 24 unq 6 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 10.0655 9.58012 16.8872 14.4162 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 10.7735 7.63183 15.0563 9.38161 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 10.7735 7.63183 15.0563 10.5878 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 10.7735 7.63183 15.0563 13.1711 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 10.7735 7.63183 15.0563 7.42291 numMergedOcc 0
31 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 10.7735 7.63183 15.0563 8.01486 numMergedOcc 0
32 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 13.1711 7.63183 15.0563 10.7735 numMergedOcc 0
33 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 13.1711 7.63183 15.0563 9.38161 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 13.1711 7.63183 15.0563 10.5878 numMergedOcc 0
35 mol 98 unq 8 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 13.1711 7.63183 15.0563 7.42291 numMergedOcc 0
36 mol 98 unq 9 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 13.1711 7.63183 15.0563 8.01486 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 4.99056 8.03035 8.8562 3.78311 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 3.78311 8.03035 8.8562 4.99056 numMergedOcc 0
39 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 4.85907 7.99857 12.7677 3.78311 8.03035 7.91683 4.99056 numMergedOcc 0
40 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.2572 9.15431 15.7676 15.7796 7.76594 15.3401 7.21005 numMergedOcc 0
41 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 6.63273 6.92648 12.6227 15.7796 7.76594 15.3401 11.5688 numMergedOcc 0
42 mol 131 unq 2 iso 0 dist 9.29384 9.25558 11.2516 13.2572 9.15431 18.3571 15.7796 7.76594 18.9021 7.21005 numMergedOcc 0
43 mol 131 unq 3 iso 0 dist 9.29384 9.25558 11.2516 6.63273 6.92648 11.586 15.7796 7.76594 18.9021 11.5688 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 8.24418 8.26172 11.5185 9.76015 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 4.44751 7.82546 7.32555 9.61561 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 4.44751 7.82546 7.32555 10.2067 numMergedOcc 0
47 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 4.44751 7.82546 10.3097 9.61561 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 4.44751 7.82546 10.3097 10.2067 numMergedOcc 0
49 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 9.61561 7.82546 7.32555 4.44751 numMergedOcc 0
50 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 9.61561 7.82546 7.32555 10.2067 numMergedOcc 0
51 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 9.61561 7.82546 10.3097 4.44751 numMergedOcc 0
52 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 9.61561 7.82546 10.3097 10.2067 numMergedOcc 0
53 mol 186 unq 0 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 12.7155 7.55358 17.9524 9.97575 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 5.74635 6.85302 14.2425 11.2142 8.87818 17.7762 7.92653 numMergedOcc 0
55 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 6.66155 5.52678 6.37788 6.12973 numMergedOcc 0
56 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 5.4499 9.81666 8.7028 11.0239 numMergedOcc 0
57 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 6.66155 5.52678 6.37788 13.0333 numMergedOcc 0
58 mol 194 unq 3 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 5.4499 9.81666 8.7028 18.6469 numMergedOcc 0
59 mol 194 unq 4 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 6.66155 5.52678 6.37788 10.1796 numMergedOcc 0
60 mol 194 unq 5 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 5.4499 9.81666 8.7028 13.5457 numMergedOcc 0
61 mol 194 unq 6 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 13.0333 5.52678 17.8402 6.66155 numMergedOcc 0
62 mol 194 unq 7 iso 0 dist 8.83356 8.29382 12.361 14.6506 6.26839 16.3687 18.6469 9.81666 20.7484 5.4499 numMergedOcc 0
63 mol 194 unq 8 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 13.0333 5.52678 17.8402 6.12973 numMergedOcc 0
64 mol 194 unq 9 iso 0 dist 8.83356 8.29382 12.361 13.5632 8.12346 18.4977 18.6469 9.81666 20.7484 11.0239 numMergedOcc 0
65 mol 194 unq 10 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 13.0333 5.52678 17.8402 10.1796 numMergedOcc 0
66 mol 194 unq 11 iso 0 dist 8.83356 8.29382 12.361 11.6097 8.2654 14.3769 18.6469 9.81666 20.7484 13.5457 numMergedOcc 0
67 mol 194 unq 12 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 13.0333 5.52678 12.6186 6.66155 numMergedOcc 0
68 mol 194 unq 13 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 18.6469 9.81666 15.8032 5.4499 numMergedOcc 0
69 mol 194 unq 14 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 13.0333 5.52678 12.6186 6.12973 numMergedOcc 0
70 mol 194 unq 15 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 18.6469 9.81666 15.8032 11.0239 numMergedOcc 0
71 mol 194 unq 16 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 13.0333 5.52678 12.6186 10.1796 numMergedOcc 0
72 mol 194 unq 17 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 18.6469 9.81666 15.8032 13.5457 numMergedOcc 0
73 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 5.72331 9.81305 10.5789 12.6437 numMergedOcc 0
74 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 8.33772 6.89118 10.4925 5.70265 numMergedOcc 0
75 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 9.59927 7.31113 6.11495 6.46131 numMergedOcc 0
76 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 10.7975 8.10263 11.4891 6.89616 numMergedOcc 0
77 mol 237 unq 2 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 5.63225 6.45845 11.7571 7.36499 numMergedOcc 0
78 mol 237 unq 3 iso 0 dist 6.50471 9.60163 6.12402 7.94444 9.4811 11.2218 5.12181 9.53139 9.36216 10.2142 numMergedOcc 0
79 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 5.40359 6.4398 10.1217 10.7508 9.89583 14.4327 5.87253 numMergedOcc 0
80 mol 238 unq 1 iso 0 dist 6.66971 7.57812 4.77308 10.0191 7.32982 9.24557 10.7508 9.89583 14.4327 10.7551 numMergedOcc 0
81 mol 238 unq 2 iso 0 dist 6.66971 8.69104 10.2777 5.40359 6.4398 13.492 10.7508 9.89583 18.559 5.87253 numMergedOcc 0
82 mol 238 unq 3 iso 0 dist 6.66971 8.69104 10.2777 10.0191 7.32982 12.9364 10.7508 9.89583 18.559 10.7551 numMergedOcc 0
83 mol 238 unq 4 iso 0 dist 7.32982 9.24557 4.77308 10.0191 6.66971 7.57812 10.7551 9.89583 14.4327 10.7508 numMergedOcc 0
84 mol 238 unq 5 iso 0 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 10.7551 9.89583 14.4327 5.87253 numMergedOcc 0
85 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 4.28414 8.44909 10.5594 10.6074 9.53915 16.0268 9.23135 numMergedOcc 0
86 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 6.6525 6.47194 12.3072 5.27959 numMergedOcc 0
